Growth, experimental and theoretical analysis of physical properties of an organic NLO 2Methylimidazole L-Tartrate (2MILT) crystal

摘要: Abstract Single crystals of organic salt 2-Methylimidazole L-Tartrate (2MILT) have been grown by slow evaporation method from ethanol and water solution. crystal Powder X-ray analysis confirms that the structure belongs to monoclinic system. The quantum chemical calculation has carried out with DFT function in ground state Gaussian software. various parameters obtained compared experimental parameters. Presence all functional group is right composition confirmed through FTIR-ATR spectroscopy. same FT-Raman response theoretical calculated values. title compound shows good UV-Visible transmission more than 80% throughout cut-off wavelength 245 nm. HOMO-LUMO also Gaussian. Good crystalline quality 2MILT further like Urbach energy, Extinction coefficients other decomposes single phase at around 210°C. dielectric constant, loss, AC conductivity Joncher’s investigated. Being Nonlinear Optical (NLO) crystal, SHG found 1.81 times particle size KDP. higher laser damage threshold 10.2 GW/cm2 ensures compatibility for NLO applications.